8IVY
Beta-Glucosidase BglA mutant E166Q in complex with glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.558, 56.022, 98.515 |
| Unit cell angles | 90.00, 102.19, 90.00 |
Refinement procedure
| Resolution | 32.470 - 1.950 |
| R-factor | 0.1764 |
| Rwork | 0.175 |
| R-free | 0.20910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.666 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
| Rmerge | 0.152 | 0.082 | 0.681 |
| Rmeas | 0.164 | 0.089 | 0.738 |
| Rpim | 0.063 | 0.034 | 0.281 |
| Total number of observations | 473940 | ||
| Number of reflections | 70930 | 3661 | 3501 |
| <I/σ(I)> | 4.2 | ||
| Completeness [%] | 99.2 | 98.1 | 99.7 |
| Redundancy | 6.7 | 6.5 | 6.7 |
| CC(1/2) | 0.987 | 0.994 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1 M Bis-Tris, pH 6.5, 0.2 M Magnesium chloride hexahydrate, 20% PEG 3350 |
